[(2s,3r,4s,5s)-3-[(2s,3r,4s,5r,6s)-5-[(2s,3r,4s,5r)-3,5-dihydroxy-4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4ar,5r,6ar,6as,6br,8r,8ar,9r,10r,11s,12as,14bs)-5,8,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6a,6b,9,12a,14b-octamethyl-10-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,7,8,8a,10,11,12,13-dodecahydropicene-4a-carboxylate

Structural Information

Molecular Formula

C₆₀H₉₈O₂₈

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](CO[C@H]([C@@H]2O)O[C@H]3[C@@H](O[C@H]([C@@H]([C@@H]3O)O)O[C@@H]4[C@H]([C@H](CO[C@H]4OC(=O)[C@]56CCC(C[C@]5(C7=CC[C@@]8([C@]9(C[C@@H]([C@@H]([C@@]([C@@H]9[C@@H](C[C@]8([C@@]7(C[C@H]6O)C)C)O)(C)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C)C)C)(C)C)O)O)C)O)O)O)O

InChI

InChI=1S/C60H98O28/c1-23-32(68)35(71)38(74)48(81-23)85-43-28(66)20-79-47(41(43)77)84-42-24(2)82-49(40(76)37(42)73)86-44-33(69)27(65)19-80-51(44)88-52(78)60-14-13-53(3,4)21-57(60,8)30-11-12-58(9)56(7)15-26(64)46(87-50-39(75)36(72)34(70)29(18-61)83-50)54(5,22-62)45(56)25(63)16-59(58,10)55(30,6)17-31(60)67/h11,23-29,31-51,61-77H,12-22H2,1-10H3/t23-,24-,25+,26-,27-,28+,29+,31+,32-,33-,34+,35+,36-,37-,38+,39+,40+,41+,42-,43-,44+,45-,46-,47-,48-,49-,50-,51-,54-,55+,56-,57-,58+,59-,60+/m0/s1

InChIKey

KVJXYLUTJTYBGU-QVXDQLQBSA-N

Compound name

[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8R,8aR,9R,10R,11S,12aS,14bS)-5,8,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6a,6b,9,12a,14b-octamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,7,8,8a,10,11,12,13-dodecahydropicene-4a-carboxylate

Related CIDs

• CID 464026